A zinc(ii) metal–organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid

Abstract

A new metal–organic framework {[Zn₂(Htzba)₂(dmtrz)]·(CH₃)₂NH}_n (1) that has already been solvothermally synthesized exhibits a high CO₂ uptake capacity based on experimental and simulation calculation results. Furthermore, the selectivities to CO₂/CH₄ and CO₂/N₂ are predicted by IAST to be 41.19 and 46.21 at 298 K and 100 kPa, respectively. The superior performance suggests that 1 is a promising candidate for CO₂ separation.